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874999-57-2 | 2-Furancarboxylic acid,5-[4-(methoxycarbonyl)phenyl]-
CAS No: 874999-57-2 Catalog No: AG004I16 MDL No:
Product Description
Catalog Number:
AG004I16
Chemical Name:
2-Furancarboxylic acid,5-[4-(methoxycarbonyl)phenyl]-
CAS Number:
874999-57-2
Molecular Formula:
C12H8O5
Molecular Weight:
232.1889
IUPAC Name:
5-(3-carboxyphenyl)furan-2-carboxylic acid
InChI:
InChI=1S/C12H8O5/c13-11(14)8-3-1-2-7(6-8)9-4-5-10(17-9)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChI Key:
IBQCYMBXLOYXCL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc(o1)C(=O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.191g/mol
Monoisotopic Mass:
232.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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